Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-
TL;DR: Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- (CAS 73953-75-0) is a chemical compound with molecular formula C13H14Cl2N2S and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1-propan-2-yl-1-prop-2-ynylthiourea
Also Known As: 1-3-isopropyl-3- thiourea, 1- -3-isopropyl-3- thiourea, 3-(3,4-Dichlorophenyl)-1-isopropyl-1-(2-propynyl)-2-thiourea, 4-12-00-01269 (Beilstein Handbook Reference), 3-(3,4-dichlorophenyl)-1-propan-2-yl-1-prop-2-ynylthiourea
| Molecular Formula | C13H14Cl2N2S |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 4.0338 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.02548 |
| Heavy Atoms | 18 |
| Complexity | 480.36984 |
Chemical Identifiers
| CAS Number | 73953-75-0 |
|---|---|
| SMILES | CC(C)N(CC#C)C(=S)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- (CAS 73953-75-0), with molecular formula C13H14Cl2N2S and molecular weight 300.03 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1-propan-2-yl-1-prop-2-ynylthiourea.
Chemical Property Profile of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-
Property Insights of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-
The XLogP value of 4.0338 indicates that Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-?
The CAS number of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- is 73953-75-0.
What is the molecular formula of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-?
The molecular formula of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- is C13H14Cl2N2S.
What is the molecular weight of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-?
The molecular weight of Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- is 300.03 g/mol.
Where can I buy Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-?
You can request a quote for Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(3,4-dichlorophenyl)-3-isopropyl-3-(2-propynyl)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.